2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C21H27N3O4S — CID 16947998

IUPAC2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCCC(C)C)c1
InChIInChI=1S/C21H27N3O4S/c1-12(2)7-8-22-20(26)16-5-6-17-18(16)23-21(29-17)24-19(25)13-9-14(27-3)11-15(10-13)28-4/h9-12,16H,5-8H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyYXWNBVKPMOAFGC-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.60
Rot. Bonds8

About 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947998) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947998
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCCC(C)C)c1
InChIInChI=1S/C21H27N3O4S/c1-12(2)7-8-22-20(26)16-5-6-17-18(16)23-21(29-17)24-19(25)13-9-14(27-3)11-15(10-13)28-4/h9-12,16H,5-8H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyYXWNBVKPMOAFGC-UHFFFAOYSA-N
XLogP3.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxoethyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948121
N-cyclopropyl-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948102
N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948014
(4S)-2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 41007228
N-(3-acetylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948052
N-(3-chlorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948040
N-(4-bromo-3-methylphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948081
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947852
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948070
N-(3,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947906
N-[(2,6-difluorophenyl)methyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947938
(4R)-2-(1,3-benzodioxole-5-carbonylamino)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946298

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947998) is 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is YXWNBVKPMOAFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-12(2)7-8-22-20(26)16-5-6-17-18(16)23-21(29-17)24-19(25)13-9-14(27-3)11-15(10-13)28-4/h9-12,16H,5-8H2,1-4H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).